SCHEMBL14726426

SCHEMBL14726426

C[C@H](N)C1Cc2cccc(Cl)c2C(=O)N1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
AADAT Q8N5Z0 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HIF1A Q16665 1/20 0.32
PTBP1 P26599 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22757640 0.89 HTR2A (0.40) NOS3HTR2AHTR2CHTR2BAADAT
SCHEMBL14667054 0.89 ALDH1A1 (0.37) NOS3HTR2AHTR2CHTR2BAADAT
SCHEMBL15307274 0.80 NOS3 (0.38) NOS3HTR2CHTR2BAADAT
SCHEMBL14667051 0.77 MEN1 (0.31) HTR2AHTR2CHTR2BLMNACYP3A4
SCHEMBL9884062 0.76 HTR2A (0.43) NOS3HTR2AHTR2CHTR2BAADAT
SCHEMBL14667052 0.71 ACHE (0.42) HTR2AHTR2CALDH1A1MAPT
SCHEMBL168386 0.70 NPC1 (0.43) HTR2AHTR2CHTR2BLMNASMN1; SMN2
SCHEMBL19736697 0.66 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL22914720 0.65 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL11386020 0.63 HTR2A (0.38) HTR2AAADAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 NOS3 1103/4885HTR2A 3448/4885HTR2C 2233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.